The important role of 67-51-6

Recommanded Product: 67-51-6. Welcome to talk about 67-51-6, If you have any questions, you can contact Sharma, P; Nath, H; Frontera, A; Barcelo-Oliver, M; Verma, AK; Hussain, S; Bhattacharyya, MK or send Email.

Authors Sharma, P; Nath, H; Frontera, A; Barcelo-Oliver, M; Verma, AK; Hussain, S; Bhattacharyya, MK in ROYAL SOC CHEMISTRY published article about in [Sharma, Pranay; Nath, Hiren; Bhattacharyya, Manjit K.] Cotton Univ, Dept Chem, Gauhati 781001, Assam, India; [Frontera, Antonio; Barcelo-Oliver, Miquel] Univ Illes Balears, Dept Quim, Crta Valldemossa Km 7-7, Palma De Mallorca 07122, Baleares, Spain; [Verma, Akalesh K.] Cotton Univ, Dept Zool, Cell Biochem Technol Lab, Gauhati 781001, India; [Hussain, Sahid] Indian Inst Technol Patna, Dept Chem, Patna 801103, Bihar, India in 2021.0, Cited 116.0. Recommanded Product: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Two new coordination complexes of Cu(ii) viz.; [Cu(bpy)(2)(NO3)]NO3 center dot 5H(2)O (1) and [Cu(phen)(Hdmpz)Cl-2]center dot H2O (2) (bpy = 2,2 ‘-bipyridine, phen = 1,10-phenanthroline, Hdmpz = 3,5-dimethyl pyrazole) have been synthesized and characterized by single crystal X-ray diffraction, electronic spectroscopy, EPR, FT-IR spectroscopy and TGA. The nitrate anion and the water molecules in the lattice of 1 are involved in the formation of unconventional infinite supramolecular crown-like nitrate-water clusters. The unconventional enclathration of guest cationic complex moieties of 1 within the supramolecular nitrate-water crown hosts provides stability to the crystal structure. Crystal structure analysis of 2 reveals the presence of cooperative ternary pi-stacked assemblies with enclathration of single guest water molecules in hexameric Cu(II) supramolecular host cavities. Theoretical calculations have been performed to analyse the non-covalent interactions in the compounds; focusing on the unusual H-bonding network/anion-pi cooperative assemblies in 1 and two different pi-stacked cooperative assemblies in 2. DFT studies reveal that the distribution and orientation of the H-bonds in the cooperative H-bonding network in 1 is the most favoured. The high interaction energies of (pi-pi)(1) and (pi-pi)(2) in pi-stacked ternary assemblies of 2 can be attributed to the participation of the entire aromatic surfaces with antiparallel orientations and the cooperative C-H center dot center dot center dot Cl interactions respectively. The in vitro antiproliferative activities of the compounds considering cell cytotoxicity, apoptosis and DNA fragmentation assays reveal significant concentration dependent cytotoxicity in DL cancer cells with nominal effects in normal PBMC cells. The molecular docking and pharmacophore studies established the structure activity relationship of the compounds.

Recommanded Product: 67-51-6. Welcome to talk about 67-51-6, If you have any questions, you can contact Sharma, P; Nath, H; Frontera, A; Barcelo-Oliver, M; Verma, AK; Hussain, S; Bhattacharyya, MK or send Email.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Something interesting about 67-51-6

Category: pyrazoles-derivatives. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

Category: pyrazoles-derivatives. In 2021.0 ORGANOMETALLICS published article about PINCER LIGAND; MOLECULAR-STRUCTURE; COPPER(I) CHLORIDE; CARBENE COMPLEXES; CRYSTAL-STRUCTURE; PI-COMPLEXES; CHEMISTRY; HEXAPHENYLCARBODIPHOSPHORANE; METALS; HALIDE in [Klein, Marius; Sundermeyer, Joerg] Philipps Univ Marburg, Fachbereich Chem & Wissensch, Zentrum Mat, D-35043 Marburg, Germany in 2021.0, Cited 67.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

The reaction of sym-bis(P-chlorodiphenyl)-carbodiphosphorane (1) with difunctional nucleophiles leads to carbodiphosphoranes carrying two additional chelating N-donor functionalities. A proof of concept is demonstrated by the synthesis and characterization of sym-bis(3,5-dimethyl-1H-pyrazol-1-yl)-carbodiphosphorane (CDP((3,5-Me)Pz)(2), 2) and sym-bis(pyridin-2-yloxy)carbodiphosphorane (CDP(O-Py-2)(2), 3). Due to their superbasic central two-/four-electron carbon donor functionality, these neutral ligands are electronically flexible to act as neutral six-or eight-electron donors, as pincer ligand templates, or as two geminally metal bridging ligands. Their potential to form monoand dinuclear complexes involving two 6-ring or two 5-ring N,C-chelate ring motives has been explored. Complexes of 2 and 3 with fac-[M(CO)(3)] fragments (ls d(6); M = Cr, Mo, W) were used as spectroscopic probes. They reveal a strong sigma-donor and potential pi-donor ability of the central carbon donor pushing electron density for enhanced M-CO back-bonding into the metal d orbitals. DFT calculations consolidate this observation. Dinuclear and multinuclear d(10) Cu(I) complexes have been formed and structurally investigated upon treating these CDP ligands 2 and 3 with CuX (X = Cl, Br, I).

Category: pyrazoles-derivatives. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Never Underestimate The Influence Of 3,5-Dimethyl-1H-pyrazole

Welcome to talk about 67-51-6, If you have any questions, you can contact Sandoval-Rojas, AP; Cortes, MT; Hurtado, J or send Email.. SDS of cas: 67-51-6

Recently I am researching about GLASSY-CARBON ELECTRODE; ASCORBIC-ACID; COMPLEX; FILM; POLYMERS; ION; ELECTROPOLYMERIZATION; COMPOSITE, Saw an article supported by the Fundacion para la promocion de la investigacion y la tecnologia del Banco de la Republica de Colombia (Bank of Republic) [4127]; Universidad de los Andes. SDS of cas: 67-51-6. Published in ELSEVIER SCIENCE SA in LAUSANNE ,Authors: Sandoval-Rojas, AP; Cortes, MT; Hurtado, J. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

Poly(3,4-ethylenedioxythiophene) (PEDOT) doped with a new sulfonated derivate from bis(3,5-dimethylpyrazol-1-yl)methane (LSA) was electrochemically synthesized and characterized by cyclic voltammetry, chronoamperometry, scanning electron microscopy, Raman spectroscopy and ultraviolet/visible spectroscopy. In addition, LSA was also fully characterized. A PEDOT:LSA modified electrode was used to study the electrochemical detection of dopamine in the presence of ascorbic and uric acid. The use of this new dopant increased the sensitivity and reduced the detection limit compared with the values observed for PEDOT doped with perchlorate.

Welcome to talk about 67-51-6, If you have any questions, you can contact Sandoval-Rojas, AP; Cortes, MT; Hurtado, J or send Email.. SDS of cas: 67-51-6

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

What kind of challenge would you like to see in a future of compound:C5H8N2

Welcome to talk about 67-51-6, If you have any questions, you can contact Tayo, AD; Djoumbissie, A; Golngar, D; Fomuta, TR; Tagne, ACK; Anguile, JJ; Ngoune, J; Eleuterio, A or send Email.. SDS of cas: 67-51-6

An article Syntheses, characterization and DFT studies of two new homo-dinuclear zinc(II) complexes based on pyrazole and 3,5-dimethylpyrazole ligands WOS:000552544700001 published article about RING-OPENING POLYMERIZATION; MOLECULAR-STRUCTURE; CRYSTAL; LUMINESCENCE; ANTITUMOR; ZN(II) in [Tayo, Alain Djampouo; Djoumbissie, Alvine; Fomuta, Tanyi Rogers; Tagne, Alain C. Kuate; Ngoune, Jean] Univ Dschang, Dept Chem, Dschang, Cameroon; [Golngar, Djimassingar] Mongo Polytech Univ Inst IUPM, Dept Chem, Mongo, Chad; [Anguile, Jean Jacques] Univ Sci & Tech Masuku, Dept Chem, Franceville, Gabon; [Eleuterio, Alvarez] Univ Seville, Inst Invest Quim CSIC, Seville, Spain in 2020.0, Cited 35.0. SDS of cas: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Two new homo-dinuclear zinc(II) complexes, bis(mu-pyrazolato-) bis[(formato)(pyrazole)zinc(II)], [{Zn(OCHO)(pzH)}(2)(mu-N2H3C3)(2)] (1) and bis(mu-3,5-dimethylpyrazolato)bis[(formato)(-3,5-dimethylpyrazole) zinc(II)], [{Zn(dmpzH)(OCHO)}(2)(m-N2H7C5)(2)] (2), were synthesized through the reactions of zinc(II) formate dihydrate, Zn(OCHO)(2)center dot 2H(2)O with pyrazole (pzH = C3H4N2) and 3,5-dimethyl-pyrazole (dmpzH = C5H8N2), respectively, in toluene at room temperature. These dinuclear complexes have been characterized using different analytical techniques; elemental and thermogravimetric analyses, IR and H-1-NMR spectroscopies, single-crystal X-ray diffraction and DFT studies. Compound 1 crystallized in the P (1) over bar space group of the triclinic crystal system with unit cell parameters a = 8.205(3) angstrom, b = 8.864(5) angstrom, c = 14.486(7) angstrom, alpha = 104.929(14)degrees, beta = 91.214(11)degrees and gamma = 106.921(8)degrees. Compound 2 crystallized in the P2(1)/c space group of the monoclinic crystal system with cell parameters a = 8.400(3) angstrom, b = 11.020(4) angstrom, c = 14.930(5) angstrom, alpha = gamma = 90 degrees and beta = 106.3(10)degrees. Pseudo-tetrahedral coordination geometries were observed around the zinc(II) centers in both complexes, constructed by one oxygen atom from a formate anion and three nitrogen atoms from one pzH and two pyrazolato in 1 or one dmpzH and two 3,5-dimethylpyrazolato in 2. The bulk of these materials are consolidated by weak and strong N-H center dot center dot center dot O, C-H center dot center dot center dot O, C-N center dot center dot center dot O and C-H center dot center dot center dot pi, N-H center dot center dot center dot pi and C-O center dot center dot center dot O intra/intermolecular interactions resulting to zigzag networks containing empty voids. DFT studies on both compounds revealed their optimized structures, frontier molecular orbitals, theoretical IR frequencies and the global reactivity descriptors. [GRAPHICS]

Welcome to talk about 67-51-6, If you have any questions, you can contact Tayo, AD; Djoumbissie, A; Golngar, D; Fomuta, TR; Tagne, ACK; Anguile, JJ; Ngoune, J; Eleuterio, A or send Email.. SDS of cas: 67-51-6

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Extended knowledge of C5H8N2

Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Liebing, P; Wang, L; Gilje, JW; Hilfert, L; Edelmann, FT or concate me.

Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. Liebing, P; Wang, L; Gilje, JW; Hilfert, L; Edelmann, FT in [Liebing, Phil; Wang, Ling; Hilfert, Liane; Edelmann, Frank T.] Otto von Guericke Univ, Chem Inst, Univ Pl 2, D-39106 Magdeburg, Germany; [Gilje, John W.] James Madison Univ, Dept Chem & Biochem, MSC 4501, Harrisonburg, VA 22807 USA published Supramolecular first-row transition metal complexes of 3-(3,5-dimethylpyrazol-1-yl)propanamide: Three different coordination modes in 2019.0, Cited 51.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Michael addition of 3-tert-butylpyrazole (1) or 3,5-dimethylpyrazole (2) to acrylamide afforded the pyrazolylpropanamide-type ligands 3-(3-tert-pyrazol-1-yl)propanamide (3, = (t)BuPPA) and 3-(3,5-dimethylpyrazol-1-yl)propanamide (4, = Me(2)PPA), respectively, in high isolated yields (3: 80%, 4: 76%). Reactions of 4 with selected first-row transition-metal chlorides (MnCl2 center dot 4H(2)O, CoCl2 center dot 6H(2)O, ZnCl2, CuCl2 center dot 2H(2)O) afforded the new complexes MnCl2(Me(2)PPA)(2) (5), [MCl2(Me(2)PPA)](2) (M = Co (6), Zn (7)), and CuCl2(Me(2)PPA)(2)center dot 2H(2)O (8). Ligand 3 and all four new complexes 58 have been structurally characterized though single-crystal X-ray diffraction. Surprisingly, the crystal structure determinations revealed three different coordination modes for the pyrazole-based ligand in these complexes. Seven-membered kappa N,kappa O-chelate rings are present in the manganese(II) complex 5. In contrast, kappa N: kappa O-bridging coordination of Me(2)PPA in compounds 6 and 7 leads to formation of dimers comprising 14-membered ring systems. Furthermore, unusual kappa N-monodentate coordination of Me2PPA has been found in the structure of the hydrated copper(II) complex Cu(Me(2)PPA)(2)Cl-2 center dot 2H(2)O (8). In the crystalline state, all four complexes 58 form one- or two-dimensional supramolecular structures assembled through different types of hydrogen bonding. (C) 2019 Elsevier Ltd. All rights reserved.

Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Liebing, P; Wang, L; Gilje, JW; Hilfert, L; Edelmann, FT or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Chemistry Milestones Of 67-51-6

Welcome to talk about 67-51-6, If you have any questions, you can contact Titov, AA; Filippov, OA; Smol’yakov, AF; Averin, AA; Shubina, ES or send Email.. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

An article Copper(I) complex with BINAP and 3,5-dimethylpyrazole: synthesis and photoluminescent properties WOS:000496341100031 published article about CU(I) COMPLEXES; PHOTOPHYSICAL PROPERTIES; CRYSTAL; DESIGN in [Titov, Aleksei A.; Filippov, Oleg A.; Smol’yakov, Alexander F.; Shubina, Elena S.] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Moscow 119991, Russia; [Smol’yakov, Alexander F.] RUDN Univ, Peoples Friendship Univ Russia, Moscow 117198, Russia; [Smol’yakov, Alexander F.] GV Plekhanov Russian Univ Econ, Moscow 117997, Russia; [Averin, Alexey A.] Russian Acad Sci, AN Frumkin Inst Phys Chem & Electrochem, Moscow 199071, Russia in 2019.0, Cited 20.0. Recommanded Product: 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

A reaction of [Cu(MeCN)(4)]BF4 with PzH (3,5-dimethyl-pyrazole) and BINAP [2,20-bis(diphenylphosphino)-1,10-bi-naphthyl] leads to the formation of mononuclear Cu-I complex [Cu(PzH)(BINAP)]BF4 containing the molecule of non-deprotonated pyrazole and one BINAP ligand with two phosphorus atoms chelating the metal. This complex exhibits a bright phosphorescence originating from the (3)(M+L)LCT state at room temperature. At 77 K, the emission is splitted into two components: (3)(M+L)LCT and (LC)-L-3 transitions.

Welcome to talk about 67-51-6, If you have any questions, you can contact Titov, AA; Filippov, OA; Smol’yakov, AF; Averin, AA; Shubina, ES or send Email.. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

More research is needed about 3,5-Dimethyl-1H-pyrazole

Welcome to talk about 67-51-6, If you have any questions, you can contact Cao, ZQ; Qiao, H; Zeng, FL or send Email.. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

Recently I am researching about ASYMMETRIC TRANSFER HYDROGENATION; PYRAZOLYL-IMIDAZOLYL LIGAND; COMPLEXES; ALCOHOLS; ESTERS; DEHYDROGENATION; MECHANISM; BEARING, Saw an article supported by the Science and Technology Department of Shaanxi Province [2018KW-032]; Key Science and Technology Innovation Team of Shaanxi Province [2017KCT-37]. Recommanded Product: 3,5-Dimethyl-1H-pyrazole. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Cao, ZQ; Qiao, H; Zeng, FL. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

A new family of pyridyl-based NNN pincer ligands bearing a remote pendent OH group were developed. Considerable acceleration effects on the activity of Ru-catalyzed transfer hydrogenation of ketones were imparted by the pendent OH group, and importantly, introducing a CH2OH group to the 4′-position of the pyrazolyl moiety is an appropriate choice. The results present a general strategy for exploring bifunctional ligands to construct effective catalysts.

Welcome to talk about 67-51-6, If you have any questions, you can contact Cao, ZQ; Qiao, H; Zeng, FL or send Email.. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

The Shocking Revelation of C5H8N2

Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.. Safety of 3,5-Dimethyl-1H-pyrazole

An article Boron carbonitride photocatalysts for direct decarboxylation: the construction of C(sp(3))-N or C(sp(3))-C(sp(2)) bonds with visible light WOS:000650203900001 published article about CARBOXYLIC-ACIDS; PHOTOREDOX; METAL; QUINOXALIN-2(1H)-ONES; FUNCTIONALIZATION; AMINATION in [Shi, Jiale; Yuan, Tao; Wang, Rong; Zheng, Meifang; Wang, Xinchen] Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350116, Peoples R China in 2021.0, Cited 50.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Safety of 3,5-Dimethyl-1H-pyrazole

A metal-free protocol is established for the decarboxylative N-H or C(sp(2))-H functionalization of acids via metal-free boron carbon nitride (BCN) photocatalysis, delivering the desired products under ambient conditions. This methodology is applicable to the late-stage modification of pharmaceutical molecules and gram-scale experiments as well as in the recovery and reuse of the photocatalysts without the loss of reactivity. The developed photochemical reaction system fulfills the requirements of green and sustainable chemistry.

Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.. Safety of 3,5-Dimethyl-1H-pyrazole

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Get Up to Speed Quickly on Emerging Topics:C5H8N2

HPLC of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Silva, VLM; Silva, AMS; Claramunt, RM; Lopez, C; Sanz, D; Infantes, L; Lopez, AM; Reviriego, F; Alkorta, I; Elguero, J or concate me.

HPLC of Formula: C5H8N2. Silva, VLM; Silva, AMS; Claramunt, RM; Lopez, C; Sanz, D; Infantes, L; Lopez, AM; Reviriego, F; Alkorta, I; Elguero, J in [Silva, Vera L. M.; Silva, Artur M. S.] Univ Aveiro, Chem Dept, P-3810193 Aveiro, Portugal; [Silva, Vera L. M.; Silva, Artur M. S.] Univ Aveiro, QOPNA, P-3810193 Aveiro, Portugal; [Claramunt, Rosa M.; Lopez, Concepcion; Sanz, Dionisia] UNED, Fac Ciencias, Dept Quim Organ & Bioorgan, Paseo Senda Rey 9, E-28040 Madrid, Spain; [Infantes, Lourdes; Martinez Lopez, Angela] CSIC, Dept Cristalog & Biol Estruct, Inst Quim Fis Rocasolano, Serrano 119, E-28006 Madrid, Spain; [Reviriego, Felipe; Alkorta, Ibon; Elguero, Jose] CSIC, Inst Quim Med, Juan Cierva 3, E-28006 Madrid, Spain; [Reviriego, Felipe] Inst Ciencia Tecnol Polimeros, Juan Cierva 3, E-28006 Madrid, Spain published A structural study of new tetrakis(1H-pyrazol-1-yl)methanes in 2019.0, Cited 33.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Tetrakis(1H-pyrazol-l-yl)methanes are very rare compounds of which only two are known: the unsubstituted 1 obtained classically by Wicket in 1937 from carbon tetrachloride and prepared again several times and the 3,5-dimethyl substituted 2 obtained serendipitously by Pombeiro in 2009. We have now extended this group to include four new derivatives 8, 9,11 and 12 bearing methyl groups. The X-ray crystal structure of the four compounds has been determined. They have been studied by NMR both in solution (H-1, C-13, N-15) and in the solid state (C-13 and N-15). DFT calculations of the six compounds (geometries, energies and absolute shieldings) have been used to discuss the experimental observations. (C) 2019 Elsevier Ltd. All rights reserved.

HPLC of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Silva, VLM; Silva, AMS; Claramunt, RM; Lopez, C; Sanz, D; Infantes, L; Lopez, AM; Reviriego, F; Alkorta, I; Elguero, J or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An overview of features, applications of compound:67-51-6

COA of Formula: C5H8N2. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

Recently I am researching about ANION-PI INTERACTIONS; X-RAY-STRUCTURE; CRYSTAL-STRUCTURE; SUPRAMOLECULAR ASSOCIATION; METAL-COMPLEXES; PYRIDINE-2,6-DICARBOXYLIC ACID; STRUCTURAL FEATURES; HOLE INTERACTION; HYDROGEN-BOND; CU(II), Saw an article supported by the University Grants Commission (UGC), New DelhiUniversity Grants Commission, India [42-377/2013]; ASTEC, DST, Govt. of Assam [ASTEC/S&T/206/2015-16/015]; MINECO/AEI of Spain (FEDER funds) [CTQ2017-85821-R]. COA of Formula: C5H8N2. Published in ELSEVIER in AMSTERDAM ,Authors: Das, A; Sharma, P; Frontera, A; Verma, AK; Barcelo-Oliver, M; Hussain, S; Bhattacharyy, MK. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

Two new coordination compounds viz. [Ni(2,6-PDC)(Hdmpz)(H2O)(2)]center dot H2O (1) and [Zn(3-CNpy)(2)Cl-2] (2) (2,6-PDC = 2,6-pyridinedicarboxylate, Hdmpz = 3,5-dimethylpyrazole, 3-CNpy = 3-cyanopyridine) have been synthesized and characterized using elemental analysis, thermogravimetric analysis, electronic, infrared spectroscopy and single crystal X-ray diffraction techniques. Crystal structure analyses reveal the presence of supramolecular assemblies involving interesting dimers with unconventional contacts in the compounds. DFT (Density Functional Theory) calculations on the supramolecular dimers in the crystal structure of 1 reveal that the sum of contributions of anion-pi, pi-pi and other long range interactions due to the approximation of the bulk monomers is energetically significant. Molecular Electrostatic Potential (MEP) surface and Quantum Theory of Atoms in Molecules (QTAIM) analyses on the interesting supramolecular dimers of the crystal structures of 2 reveal the presence of unconventional anion center dot center dot center dot pi contacts involving coordinated chlorido ligands and C-H center dot center dot center dot pi(nitrile) interactions involving the pi-system of the nitrile moiety of 3-cyanopyridine. Remarkably, Atoms in Molecules analysis also confirms the existence of energetically significant unconventional anti-parallel nitrile center dot center dot center dot nitrile interaction in the crystal structure of 2. Cell cytotoxicity of the compounds performed in Dalton’s lymphoma (DL) malignant cancer cell line showed effective potency with negligible cytotoxicity in normal cells (similar to 12%). It is interesting that compound 1has excellent cytotoxic potency with IC50 closer to cisplatin and can bind different biological targets with similar signalling pathways. Structure activity relationship (SAR) analyses of 1 and 2 based on pharmacophore modelling reveal that the molecular features associated with the structures of the compounds play important role in the biological activities. (C) 2020 Elsevier B.V. All rights reserved.

COA of Formula: C5H8N2. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics